2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid

C21H26FNO4 — CID 66527077

IUPAC2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid
SMILESCOc1cccc(CNC(CC(C)C)C(=O)O)c1OCc1ccccc1F
InChIInChI=1S/C21H26FNO4/c1-14(2)11-18(21(24)25)23-12-15-8-6-10-19(26-3)20(15)27-13-16-7-4-5-9-17(16)22/h4-10,14,18,23H,11-13H2,1-3H3,(H,24,25)
InChIKeyINLRBZQVDUSRCJ-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.00
Rot. Bonds10

About 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid

2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid (PubChem CID 66527077) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid
PubChem CID66527077
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid
SMILESCOc1cccc(CNC(CC(C)C)C(=O)O)c1OCc1ccccc1F
InChIInChI=1S/C21H26FNO4/c1-14(2)11-18(21(24)25)23-12-15-8-6-10-19(26-3)20(15)27-13-16-7-4-5-9-17(16)22/h4-10,14,18,23H,11-13H2,1-3H3,(H,24,25)
InChIKeyINLRBZQVDUSRCJ-UHFFFAOYSA-N
XLogP4.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527664
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527655
4-methyl-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528381
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
2-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66528396
(2R)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987966
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid
CID 66529359

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid (CID 66527077) is 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid is COc1cccc(CNC(CC(C)C)C(=O)O)c1OCc1ccccc1F.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid?
The InChIKey is INLRBZQVDUSRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4/c1-14(2)11-18(21(24)25)23-12-15-8-6-10-19(26-3)20(15)27-13-16-7-4-5-9-17(16)22/h4-10,14,18,23H,11-13H2,1-3H3,(H,24,25).
What are the key properties of 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid?
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid has a molecular weight of 375.44 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 66527077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).